SCHEMBL4503133

SCHEMBL4503133

Cc1ccc(-c2ccc3c(NC(=O)CCC4CCCC4)n[nH]c3c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 19/20 0.70
CYP1A2 P05177 2/20 0.55
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
PIK3CD O00329 1/20 0.53
PIM1 P11309 1/20 0.53
CDK2 P24941 1/20 0.53
GSK3A P49840 1/20 0.53
AAK1 Q2M2I8 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4497780 0.93 GSK3B (0.60) GSK3BCYP1A2
SCHEMBL4500078 0.91 GSK3B (0.57) GSK3BCYP1A2
SCHEMBL4479144 0.91 GSK3B (0.71) GSK3BCYP1A2HDAC1HDAC2HDAC8
SCHEMBL4487872 0.90 GSK3B (0.71) GSK3BCYP1A2HDAC1HDAC2HDAC8
SCHEMBL4486080 0.89 GSK3B (0.66) GSK3BCYP1A2PIK3CDPIM1CDK2
SCHEMBL4500388 0.89 GSK3B (0.56) GSK3BCYP1A2HDAC1HDAC2HDAC8
SCHEMBL4505755 0.89 HDAC1 (0.68) GSK3BHDAC1HDAC2HDAC8
SCHEMBL4493654 0.89 GSK3B (0.74) GSK3BCYP1A2HDAC1HDAC2HDAC8
SCHEMBL4495710 0.87 GSK3B (0.63) GSK3BCYP1A2
SCHEMBL4486136 0.87 GSK3B (0.54) GSK3BCYP1A2HDAC1HDAC2HDAC8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632854-B2 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2009-12-15 US claimed